(E)-but-2-enedioate;bis(diphenylphosphanium)

C28H26O4P2 — CID 160830122

IUPAC(E)-but-2-enedioate;bis(diphenylphosphanium)
SMILESO=C([O-])/C=C/C(=O)[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKeyASSKGMBGXDSYOY-WXXKFALUSA-N
MW488.46 g/mol
LogP1.14
Rot. Bonds6

About (E)-but-2-enedioate;bis(diphenylphosphanium)

(E)-but-2-enedioate;bis(diphenylphosphanium) (PubChem CID 160830122) has the molecular formula C28H26O4P2 and a molecular weight of 488.46 g/mol. Its IUPAC name is (E)-but-2-enedioate;bis(diphenylphosphanium).

Molecular Properties

Compound Name(E)-but-2-enedioate;bis(diphenylphosphanium)
PubChem CID160830122
Molecular FormulaC28H26O4P2
Molecular Weight488.46 g/mol
Exact Mass488.13
IUPAC Name(E)-but-2-enedioate;bis(diphenylphosphanium)
SMILESO=C([O-])/C=C/C(=O)[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1
InChIInChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKeyASSKGMBGXDSYOY-WXXKFALUSA-N
XLogP1.14
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.46
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioate;bis(triphenylstannanylium)
CID 70463220
tris(diphenylphosphanium);phosphate
CID 158131338
tetrakis(3-phenylprop-2-enoate);tin(4+)
CID 157178082
barium(2+);bis(3-phenylprop-2-enoate)
CID 57371058
sodium (Z)-3-phenylprop-2-enoate
CID 23717933
europium(2+);bis(3-phenylprop-2-enoate)
CID 173196474
lithium 3-phenylprop-2-enoate
CID 67041801
(E)-but-2-enedioate
CID 5460307
calcium;(Z)-but-2-enedioate;prop-1-en-2-ylbenzene
CID 174823812
4-oxo-4-(2-phenylethylamino)but-2-enoate
CID 4295155
4-oxo-4-phenylmethoxybut-2-enoate
CID 53421494
3-phenylsulfanylprop-2-enoate
CID 4914453

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioate;bis(diphenylphosphanium)?
The IUPAC name of (E)-but-2-enedioate;bis(diphenylphosphanium) (CID 160830122) is (E)-but-2-enedioate;bis(diphenylphosphanium).
What is the SMILES notation for (E)-but-2-enedioate;bis(diphenylphosphanium)?
The canonical SMILES for (E)-but-2-enedioate;bis(diphenylphosphanium) is O=C([O-])/C=C/C(=O)[O-].c1ccc([PH2+]c2ccccc2)cc1.c1ccc([PH2+]c2ccccc2)cc1.
What is the InChIKey of (E)-but-2-enedioate;bis(diphenylphosphanium)?
The InChIKey is ASSKGMBGXDSYOY-WXXKFALUSA-N. The full InChI is InChI=1S/2C12H11P.C4H4O4/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5-3(6)1-2-4(7)8/h2*1-10,13H;1-2H,(H,5,6)(H,7,8)/b;;2-1+.
What are the key properties of (E)-but-2-enedioate;bis(diphenylphosphanium)?
(E)-but-2-enedioate;bis(diphenylphosphanium) has a molecular weight of 488.46 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-enedioate;bis(diphenylphosphanium) is sourced from PubChem (CID 160830122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).